N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide

C15H13NO3 — CID 122358590

IUPACN-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10(18)16-14-5-2-11(3-6-14)12-4-7-15(19)13(8-12)9-17/h2-9,19H,1H3,(H,16,18)
InChIKeyZLGABQKBZRAASS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.83
Rot. Bonds3

About N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide

N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide (PubChem CID 122358590) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
PubChem CID122358590
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC NameN-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc(O)c(C=O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10(18)16-14-5-2-11(3-6-14)12-4-7-15(19)13(8-12)9-17/h2-9,19H,1H3,(H,16,18)
InChIKeyZLGABQKBZRAASS-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide?
The IUPAC name of N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide (CID 122358590) is N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide?
The canonical SMILES for N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccc(O)c(C=O)c2)cc1.
What is the InChIKey of N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide?
The InChIKey is ZLGABQKBZRAASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10(18)16-14-5-2-11(3-6-14)12-4-7-15(19)13(8-12)9-17/h2-9,19H,1H3,(H,16,18).
What are the key properties of N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide?
N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide has a molecular weight of 255.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide is sourced from PubChem (CID 122358590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).